Neural network prediction of the gas chromatographic separation of polycyclic aromatic hydrocarbons
Abstract
This paper describes the application of artificial neural networks (ANNs) method
to the modeling of 13 polycyclic aromatic hydrocarbons (PAHs)retentionsin temperature - programmed gas chromatography.The ANN method used resulted in relatively
good agreement (RMStesting = 0.018) between the measured and the predicted retention
times for 13 PAHs. Somewhat higher discrepancy in prediction was observed for the
late – eluted PAHs at lower temperature ramps.
Source:
Physical Chemistry 2004 : proceedings of the 7th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 21-23, 2004, Belgrade, 2004, 2, 865-867Publisher:
- Belgrade : The Society of Physical Chemists of Serbia
Funding / projects:
- Ministry of Science and Environmental Protection of the Republic of Serbia (Projects No. 1978)
Institution/Community
Tehnološko-metalurški fakultetTY - CONF AU - Sremac, Snežana AU - Todorović, Žaklina AU - Popović, Aleksandra AU - Onjia, Antonije PY - 2004 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7236 AB - This paper describes the application of artificial neural networks (ANNs) method to the modeling of 13 polycyclic aromatic hydrocarbons (PAHs)retentionsin temperature - programmed gas chromatography.The ANN method used resulted in relatively good agreement (RMStesting = 0.018) between the measured and the predicted retention times for 13 PAHs. Somewhat higher discrepancy in prediction was observed for the late – eluted PAHs at lower temperature ramps. PB - Belgrade : The Society of Physical Chemists of Serbia C3 - Physical Chemistry 2004 : proceedings of the 7th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 21-23, 2004, Belgrade T1 - Neural network prediction of the gas chromatographic separation of polycyclic aromatic hydrocarbons EP - 867 SP - 865 VL - 2 UR - https://hdl.handle.net/21.15107/rcub_technorep_7236 ER -
@conference{ author = "Sremac, Snežana and Todorović, Žaklina and Popović, Aleksandra and Onjia, Antonije", year = "2004", abstract = "This paper describes the application of artificial neural networks (ANNs) method to the modeling of 13 polycyclic aromatic hydrocarbons (PAHs)retentionsin temperature - programmed gas chromatography.The ANN method used resulted in relatively good agreement (RMStesting = 0.018) between the measured and the predicted retention times for 13 PAHs. Somewhat higher discrepancy in prediction was observed for the late – eluted PAHs at lower temperature ramps.", publisher = "Belgrade : The Society of Physical Chemists of Serbia", journal = "Physical Chemistry 2004 : proceedings of the 7th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 21-23, 2004, Belgrade", title = "Neural network prediction of the gas chromatographic separation of polycyclic aromatic hydrocarbons", pages = "867-865", volume = "2", url = "https://hdl.handle.net/21.15107/rcub_technorep_7236" }
Sremac, S., Todorović, Ž., Popović, A.,& Onjia, A.. (2004). Neural network prediction of the gas chromatographic separation of polycyclic aromatic hydrocarbons. in Physical Chemistry 2004 : proceedings of the 7th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 21-23, 2004, Belgrade Belgrade : The Society of Physical Chemists of Serbia., 2, 865-867. https://hdl.handle.net/21.15107/rcub_technorep_7236
Sremac S, Todorović Ž, Popović A, Onjia A. Neural network prediction of the gas chromatographic separation of polycyclic aromatic hydrocarbons. in Physical Chemistry 2004 : proceedings of the 7th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 21-23, 2004, Belgrade. 2004;2:865-867. https://hdl.handle.net/21.15107/rcub_technorep_7236 .
Sremac, Snežana, Todorović, Žaklina, Popović, Aleksandra, Onjia, Antonije, "Neural network prediction of the gas chromatographic separation of polycyclic aromatic hydrocarbons" in Physical Chemistry 2004 : proceedings of the 7th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 21-23, 2004, Belgrade, 2 (2004):865-867, https://hdl.handle.net/21.15107/rcub_technorep_7236 .